ChemSpider 2D Image | (3R,5S,7R,8E,12E,16R,18R,19S,20R,23S,25S)-19,20,23-Trihydroxy-16-(hydroxymethyl)-3,13,18,25,26-pentamethyl-6,15,27,28-tetraoxatricyclo[24.3.1.0~5,7~]triaconta-1(30),8,12-triene-14,21-dione | C32H50O10

(3R,5S,7R,8E,12E,16R,18R,19S,20R,23S,25S)-19,20,23-Trihydroxy-16-(hydroxymethyl)-3,13,18,25,26-pentamethyl-6,15,27,28-tetraoxatricyclo[24.3.1.05,7]triaconta-1(30),8,12-triene-14,21-dione

  • Molecular FormulaC32H50O10
  • Average mass594.733 Da
  • Monoisotopic mass594.340393 Da
  • ChemSpider ID9149215

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,5S,7R,8E,12E,16R,18R,19S,20R,23S,25S)-19,20,23-Trihydroxy-16-(hydroxymethyl)-3,13,18,25,26-pentamethyl-6,15,27,28-tetraoxatricyclo[24.3.1.05,7]triaconta-1(30),8,12-trien-14,21-dion [German] [ACD/IUPAC Name]
(3R,5S,7R,8E,12E,16R,18R,19S,20R,23S,25S)-19,20,23-Trihydroxy-16-(hydroxymethyl)-3,13,18,25,26-pentamethyl-6,15,27,28-tetraoxatricyclo[24.3.1.05,7]triaconta-1(30),8,12-triene-14,21-dione [ACD/IUPAC Name]
(3R,5S,7R,8E,12E,16R,18R,19S,20R,23S,25S)-19,20,23-Trihydroxy-16-(hydroxyméthyl)-3,13,18,25,26-pentaméthyl-6,15,27,28-tétraoxatricyclo[24.3.1.05,7]triaconta-1(30),8,12-triène-14,21-dione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 760.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.4±6.0 kJ/mol
Flash Point: 236.7±26.4 °C
Index of Refraction: 1.556
Molar Refractivity: 156.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.13
ACD/KOC (pH 5.5): 557.05
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.13
ACD/KOC (pH 7.4): 557.04
Polar Surface Area: 155 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 487.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement